Information card for entry 4105405

Structure parameters

• Formula: Ce2.5 H12 K N0.5 O82 Ru4 Si2 W20
• Calculated formula: Ce3 O123.5 Ru4 Si2 W20
• Title of publication: Structural, Physicochemical, and Reactivity Properties of an All-Inorganic, Highly Active Tetraruthenium Homogeneous Catalyst for Water Oxidation
• Authors of publication: Yurii V. Geletii; Claire Besson; Yu Hou; Qiushi Yin; Djamaladdin G. Musaev; David Quiñonero; Rui Cao; Kenneth I. Hardcastle; Anna Proust; Paul Kögerler; Craig L. Hill
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17360 - 17370
• a: 16.083 ± 0.003 Å
• b: 18.405 ± 0.004 Å
• c: 20.111 ± 0.004 Å
• α: 102.564 ± 0.01°
• β: 99.4 ± 0.01°
• γ: 91.116 ± 0.011°
• Cell volume: 5723 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No